2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid

C7H11NO2 — CID 174295324

IUPAC2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid
SMILESCC1C=CCN1CC(=O)O
InChIInChI=1S/C7H11NO2/c1-6-3-2-4-8(6)5-7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyAWSYBEQZUXJREY-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.33
Rot. Bonds2

About 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid

2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid (PubChem CID 174295324) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid
PubChem CID174295324
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid
SMILESCC1C=CCN1CC(=O)O
InChIInChI=1S/C7H11NO2/c1-6-3-2-4-8(6)5-7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyAWSYBEQZUXJREY-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid?
The IUPAC name of 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid (CID 174295324) is 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid is CC1C=CCN1CC(=O)O.
What is the InChIKey of 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid?
The InChIKey is AWSYBEQZUXJREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-3-2-4-8(6)5-7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10).
What are the key properties of 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid?
2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid has a molecular weight of 141.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,5-dihydropyrrol-1-yl)acetic acid is sourced from PubChem (CID 174295324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).